CID 107867

Otenzepad

Structural Information

Molecular Formula
C24H31N5O2
SMILES
CCN(CC)CC1CCCCN1CC(=O)N2C3=CC=CC=C3C(=O)NC4=C2N=CC=C4
InChI
InChI=1S/C24H31N5O2/c1-3-27(4-2)16-18-10-7-8-15-28(18)17-22(30)29-21-13-6-5-11-19(21)24(31)26-20-12-9-14-25-23(20)29/h5-6,9,11-14,18H,3-4,7-8,10,15-17H2,1-2H3,(H,26,31)
InChIKey
UBRKDAVQCKZSPO-UHFFFAOYSA-N
Compound name
11-[2-[2-(diethylaminomethyl)piperidin-1-yl]acetyl]-5H-pyrido[2,3-b][1,4]benzodiazepin-6-one
Related CIDs

2D Structure

compound 2d structure
4
Annotation Hits

378
References

1390
Patents

421.24777 Da
Monoisotopic Mass

2.0
XlogP (predicted)

Profile

Predicted Collision Cross Section

Adduct m/z Predicted CCS (Ų)
[M+H]+ 422.25505 204.8
[M+Na]+ 444.23699 214.3
[M+NH4]+ 439.28159 209.4
[M+K]+ 460.21093 208.6
[M-H]- 420.24049 206.8
[M+Na-2H]- 442.22244 207.8
[M]+ 421.24722 206.5
[M]- 421.24832 206.5
m/z: mass to charge ratio of the adduct.
Predicted Collision Cross Section (CCS) values (Ų) per adduct calculated using CCSbase.

Literature stripe

literature stripe

Patent stripe

patents stripe